CID 44257458

4-methoxyhomopterocarpin

Structural Information

Molecular Formula
C18H18O5
SMILES
COC1=CC2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4OC)OC
InChI
InChI=1S/C18H18O5/c1-19-10-4-5-11-13-9-22-17-12(16(13)23-15(11)8-10)6-7-14(20-2)18(17)21-3/h4-8,13,16H,9H2,1-3H3
InChIKey
XLPOISABZDNFQM-UHFFFAOYSA-N
Compound name
3,4,9-trimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

314.11542 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.12270 169.0
[M+Na]+ 337.10464 178.7
[M-H]- 313.10814 177.1
[M+NH4]+ 332.14924 186.3
[M+K]+ 353.07858 178.0
[M+H-H2O]+ 297.11268 162.6
[M+HCOO]- 359.11362 186.6
[M+CH3COO]- 373.12927 181.7
[M+Na-2H]- 335.09009 174.8
[M]+ 314.11487 176.4
[M]- 314.11597 176.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe